Information card for entry 7115472

Structure parameters

• Formula: C90 H106 N12 O2
• Calculated formula: C90 H102 N12 O2
• Title of publication: Guest control of structure in porous organic cages
• Authors of publication: Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9465
• a: 16.7488 ± 0.0015 Å
• b: 19.2538 ± 0.0019 Å
• c: 25.342 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8172.2 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No